%chk=000078356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078356

1 1
 O    8.076800      0.8381000     -0.3948000    
 O    7.865300      -1.220600      0.3375000    
 N   -6.236400      -1.865700     -0.3988000    
 N   -4.242900       1.284000      8.5800000E-02
 N   -6.473400      -2.630800      -1.574100    
 N    1.310300      0.7457000      0.5548000    
 N    1.790500      0.3056000     -0.5160000    
 N    7.366600     -0.1458000     -7.5300001E-02
 N    2.292500      -3.046600      0.7186000    
 C   -5.345400     -0.7081000     -0.7814000    
 C   -5.135100      0.1986000      0.4183000    
 C   -7.586000      -1.402200      9.4400004E-02
 C   -5.569400      -2.790000      0.5911000    
 C   -4.818400       2.540800     -0.3956000    
 C   -2.852400       1.149200      0.2032000    
 C   -4.882400       3.552000      0.7328000    
 C   -2.295800     -4.9400002E-02  0.6627000    
 C   -2.008900       2.212200     -0.1377000    
 C  -0.9121000     -0.1835000      0.7795000    
 C  -0.6254000       2.078000     -2.0700000E-02
 C  -7.6700002E-02  0.8801000      0.4377000    
 C    3.184400      0.1709000     -0.3979000    
 C    3.757400      -1.014100      5.8400001E-02
 C    3.991600       1.251600     -0.7472000    
 C    5.954700     -3.9299998E-02 -0.1838000    
 C    5.144300      -1.119500      0.1654000    
 C    5.378500       1.146200     -0.6399000    
 C    2.947900      -2.137200      0.4232000    
 H   -4.398600      -1.117000      -1.156100    
 H   -5.827300     -0.1582000      -1.601100    
 H   -6.094700      0.6437000      0.7088000    
 H   -4.811900     -0.3211000       1.323700    
 H   -7.478100     -0.9734000       1.094700    
 H   -8.255100      -2.268200      0.1576000    
 H   -7.991000     -0.6619000     -0.6035000    
 H   -4.566400      -3.041900      0.2310000    
 H   -5.514300      -2.300700       1.566700    
 H   -6.175100      -3.698400      0.6888000    
 H   -5.588000      -2.946300      -1.970200    
 H   -6.913100      -2.049600      -2.287700    
 H   -5.842500       2.363200     -0.7497000    
 H   -4.293500       2.934600      -1.273000    
 H   -5.485000       3.170000       1.564300    
 H   -3.898000       3.807500       1.134200    
 H   -5.348700       4.477800      0.3805000    
 H   -2.888700     -0.9170000      0.9307000    
 H   -2.367000       3.168100     -0.5034000    
 H  -0.4937000      -1.121400       1.135700    
 H   1.7999999E-02   2.912100     -0.2891000    
 H    3.552200       2.179300      -1.104700    
 H    5.574900      -2.052800      0.5235000    
 H    5.978400       2.008100     -0.9210000    


%chk=000078356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078356

1 1
O 8.051961 -1.619219 -0.383657
O 8.148060 0.658309 -0.531902
N -6.126457 -1.613131 -1.415973
N -4.428196 1.167812 0.693261
N -6.206349 -1.753136 -2.892508
N 1.239249 0.831121 0.394624
N 1.818314 -0.327482 0.195055
N 7.505815 -0.450946 -0.393681
N 3.069829 3.429861 -0.206381
C -5.393206 -0.303809 -0.998395
C -5.284689 -0.007098 0.528247
C -7.564107 -1.630810 -0.904691
C -5.384960 -2.850734 -0.914518
C -5.093180 2.464027 0.998317
C -3.022959 1.046695 0.650282
C -5.126468 2.795833 2.505330
C -2.389128 -0.230275 0.469234
C -2.182297 2.197354 0.770849
C -0.996327 -0.347224 0.389487
C -0.789523 2.077097 0.682879
C -0.173420 0.811297 0.482618
C 3.235370 -0.241303 0.061456
C 4.000223 0.969910 -0.097052
C 3.904403 -1.494339 0.055252
C 6.028364 -0.381308 -0.234406
C 5.405845 0.881387 -0.246861
C 5.298294 -1.580334 -0.084270
C 3.415236 2.285885 -0.138075
H -4.379365 -0.376470 -1.429385
H -5.935930 0.517377 -1.499426
H -6.278522 0.219658 0.949488
H -4.885978 -0.876501 1.083751
H -7.555046 -1.674097 0.193748
H -8.060309 -2.516978 -1.324726
H -8.075727 -0.714953 -1.240767
H -4.336679 -2.797737 -1.248514
H -5.428321 -2.879458 0.183306
H -5.877405 -3.733594 -1.345633
H -5.254463 -1.808558 -3.287853
H -6.746263 -0.967527 -3.287967
H -6.125695 2.412877 0.604363
H -4.593173 3.270584 0.433390
H -5.681107 2.027246 3.073166
H -4.108295 2.859026 2.924977
H -5.625189 3.767614 2.669733
H -2.983267 -1.149936 0.426143
H -2.609420 3.189048 0.935032
H -0.516788 -1.322891 0.260861
H -0.142237 2.956373 0.762642
H 3.292033 -2.393422 0.167976
H 6.014472 1.780734 -0.374160
H 5.825882 -2.537155 -0.083765


